Geometry & MOs

Info

ID:	290663
PubChem CID:	109817017
Reduced:	O2N5C22H37 (1)
Stoich.:	A2B5C22D37 (1)
Weight, g/mol:	366.31071
ΔH_f, kcal/mol:	-61.48
Dipole, Da:	4.6
IP(EA), eV:	-8.68(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(1-propanoylpyrrolidin-3-yl)guanidine

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NC)NCC(C2=CC(=CC=C2)OC)N(CC)CC

DOS

IR

Vibrations